Another Density Function analysis of LK-99 proposed room-temperature superconductor by researchers at Northwest University in China and Tu Wien Austria Physics Institute. They think superconductivity ...

Figuring out certain aspects of a material's electron structure can take a lot out of a computer—up to a million CPU hours, in fact. A team of Yale researchers, though, are using a type of artificial ...

Obtaining a solution to the many-electron Schrödinger equation stands as one of the grand challenges in chemistry and physics. Highly accurate solutions are achievable for relatively small systems ...

New research shows that the electronic structure of metals can strongly affect their mechanical properties. New research from the University of Birmingham shows that the electronic structure of metals ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...